CHEBI:209615 - Glycosylated macrolactam B1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Glycosylated macrolactam B1
ChEBI ID CHEBI:209615
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H44O11
Net Charge 0
Average Mass 580.671
Monoisotopic Mass 580.28836
InChI InChI=1S/C30H44O11/c1-20-10-7-8-13-23-22(32)15-17-30(37,41-23)16-9-3-5-12-21(11-4-2-6-14-25(33)39-20)19-38-29-28(36)27(35)26(34)24(18-31)40-29/h2-6,8-9,12-14,20-24,26-29,31-32,34-37H,7,10-11,15-19H2,1H3/b4-2-,9-3-,12-5-,13-8-,14-6-/t20?,21-,22+,23+,24-,26-,27+,28-,29-,30-/m1/s1
InChIKey KETXORQHWNKHMW-ZMTARFRQSA-N
SMILES O=C1OC(CCC=C[C@@H]2O[C@](O)(CC=CC=C[C@@H](CC=CC=C1)CO[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)CC[C@@H]2O)C
Metabolite of Species Details
Bacillusspecies (in: firmicutes) (NCBI:txid1409) See: PubMed
ChEBI Ontology
Outgoing Glycosylated macrolactam B1 (CHEBI:209615) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2Z,9Z,11Z,14R,15Z,17Z,20S,23S)-20,23-dihydroxy-6-methyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7,24-dioxabicyclo[18.3.1]tetracosa-2,9,11,15,17-pentaen-8-one
Manual Xref Database
78439839 ChemSpider
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